Acetate → t-butyl [1-[7-(2-butynyl)-2-chloro-6-oxo-6,7-dihydro-1H-purin-8-yl]piperidin-3-yl]carbamate
Reaction equation
[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:16]2[CH2:17][CH:18]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:19][CH2:20][CH2:21]2)[n:7][c:8]2[n:9][c:10]([Cl:15])[n:11][c:12]([Cl:14])[c:13]12.[CH3:31][C:32]([O-:33])=[O:34].[CH3:35][S:36](=[O:37])[CH3:38].[Na+:30]>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:16]2[CH2:17][CH:18]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:19][CH2:20][CH2:21]2)[n:7][c:8]2[n:9][c:10]([Cl:15])[nH:11][c:12](=[O:33])[c:13]12Participants
5
Sources & evidence
- ORD record
- ord-67ce213d040e4e19b546019e13f828d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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